# generated using pymatgen
data_PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06127026
_cell_length_b   11.68624798
_cell_length_c   11.68609097
_cell_angle_alpha   90.00163668
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSe
_chemical_formula_sum   'Pd24 Se24'
_cell_volume   964.33336720
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Pd  Pd0  1  0.50000347  0.14233552  0.26877095  1.0
  Pd  Pd1  1  -0.00000010  0.76877528  0.64233983  1.0
  Pd  Pd2  1  0.49999839  0.87007056  0.04502878  1.0
  Pd  Pd3  1  -0.00000335  0.26876377  0.85766670  1.0
  Pd  Pd4  1  0.99999779  0.54502186  0.37006538  1.0
  Pd  Pd5  1  -0.00000335  0.73123623  0.14233330  1.0
  Pd  Pd6  1  0.49999839  0.12992944  0.95497122  1.0
  Pd  Pd7  1  0.99999779  0.45497814  0.62993462  1.0
  Pd  Pd8  1  0.49999631  0.62992741  0.54502866  1.0
  Pd  Pd9  1  0.75000048  0.88708853  0.38708712  1.0
  Pd  Pd10  1  0.25000255  0.61291362  0.88708922  1.0
  Pd  Pd11  1  0.25000255  0.38708638  0.11291078  1.0
  Pd  Pd12  1  0.50000085  0.35766164  0.76876147  1.0
  Pd  Pd13  1  0.75000048  0.11291147  0.61291288  1.0
  Pd  Pd14  1  0.50000085  0.64233836  0.23123853  1.0
  Pd  Pd15  1  0.49999631  0.37007259  0.45497134  1.0
  Pd  Pd16  1  0.99999728  0.95496864  0.87007580  1.0
  Pd  Pd17  1  0.24999930  0.11290912  0.61291324  1.0
  Pd  Pd18  1  0.24999930  0.88709088  0.38708676  1.0
  Pd  Pd19  1  0.75000156  0.61291397  0.88708766  1.0
  Pd  Pd20  1  0.75000156  0.38708603  0.11291234  1.0
  Pd  Pd21  1  0.50000347  0.85766448  0.73122905  1.0
  Pd  Pd22  1  -0.00000010  0.23122472  0.35766017  1.0
  Pd  Pd23  1  0.99999728  0.04503136  0.12992420  1.0
  Se  Se24  1  0.22408337  0.88980372  0.17694481  1.0
  Se  Se25  1  0.25000045  0.59646504  0.09646505  1.0
  Se  Se26  1  0.25000273  0.09649079  0.40350652  1.0
  Se  Se27  1  0.72407267  0.82303867  0.88981487  1.0
  Se  Se28  1  0.72408948  0.32304255  0.61018215  1.0
  Se  Se29  1  0.77593030  0.61018670  0.67696344  1.0
  Se  Se30  1  0.22408337  0.11019628  0.82305519  1.0
  Se  Se31  1  0.75000407  0.90351385  0.59649161  1.0
  Se  Se32  1  0.25000045  0.40353496  0.90353495  1.0
  Se  Se33  1  0.27592994  0.17696022  0.11018520  1.0
  Se  Se34  1  0.22408124  0.38981619  0.32303984  1.0
  Se  Se35  1  0.77593030  0.38981330  0.32303656  1.0
  Se  Se36  1  0.27590528  0.67695326  0.38980205  1.0
  Se  Se37  1  0.27592994  0.82303978  0.88981480  1.0
  Se  Se38  1  0.74999899  0.40353697  0.90353601  1.0
  Se  Se39  1  0.72408948  0.67695745  0.38981785  1.0
  Se  Se40  1  0.27590528  0.32304774  0.61019795  1.0
  Se  Se41  1  0.77590695  0.88980205  0.17694465  1.0
  Se  Se42  1  0.75000407  0.09648615  0.40350839  1.0
  Se  Se43  1  0.22408124  0.61018481  0.67696016  1.0
  Se  Se44  1  0.74999899  0.59646303  0.09646399  1.0
  Se  Se45  1  0.72407267  0.17696133  0.11018513  1.0
  Se  Se46  1  0.25000273  0.90350921  0.59649348  1.0
  Se  Se47  1  0.77590695  0.11019795  0.82305535  1.0